[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-(4-methylpiperazin-1-yl)methanone

Systemtic Name: [3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-(4-methylpiperazin-1-yl)methanone CAS Name: [3-(1-azepanylsulfonyl)-4-methoxyphenyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-(4-methylpiperazino)methanone Formula: C19H29N3O4S MolecularWeight: 395.51626

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H29N3O4S/c1-20-11-13-21(14-12-20)19(23)16-7-8-17(26-2)18(15-16)27(24,25)22-9-5-3-4-6-10-22/h7-8,15H,3-6,9-14H2,1-2H3